1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine

C111H176ClN11O2 — CID 160639585

IUPAC1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CNCCO2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(Cl)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CN(c1ccc(CC(C)(C)C)cc1)C1CCCNC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1
InChIInChI=1S/C17H28N2.C17H27NO.2C16H26N2.C15H23ClN2.C15H23NO.C15H23N/c1-17(2,3)12-14-7-9-15(10-8-14)19(4)16-6-5-11-18-13-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-15(2,3)11-12-4-5-14(13(16)10-12)18-8-6-17-7-9-18;1-15(2,3)10-12-4-6-13(7-5-12)14-11-16-8-9-17-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14/h7-10,16,18H,5-6,11-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;4-5,10,17H,6-9,11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3
InChIKeyRIZOHBZWHGCSGH-UHFFFAOYSA-N
MW1732.16 g/mol
LogP23.27
Rot. Bonds17

About 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine

1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine (PubChem CID 160639585) has the molecular formula C111H176ClN11O2 and a molecular weight of 1732.16 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine
PubChem CID160639585
Molecular FormulaC111H176ClN11O2
Molecular Weight1732.16 g/mol
Exact Mass1730.37
IUPAC Name1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine
SMILESCC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CNCCO2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(Cl)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CN(c1ccc(CC(C)(C)C)cc1)C1CCCNC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1
InChIInChI=1S/C17H28N2.C17H27NO.2C16H26N2.C15H23ClN2.C15H23NO.C15H23N/c1-17(2,3)12-14-7-9-15(10-8-14)19(4)16-6-5-11-18-13-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-15(2,3)11-12-4-5-14(13(16)10-12)18-8-6-17-7-9-18;1-15(2,3)10-12-4-6-13(7-5-12)14-11-16-8-9-17-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14/h7-10,16,18H,5-6,11-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;4-5,10,17H,6-9,11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3
InChIKeyRIZOHBZWHGCSGH-UHFFFAOYSA-N
XLogP23.27
TPSA115.63 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.16
LogP ≤ 523.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine (CID 160639585) is 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine is CC(C)(C)Cc1ccc(C2CCNC2)cc1.CC(C)(C)Cc1ccc(C2CNCCO2)cc1.CC(C)(C)Cc1ccc(N2CCNCC2)c(Cl)c1.CC(C)(C)Cc1ccc(NC2CCNCC2)cc1.CN(c1ccc(CC(C)(C)C)cc1)C1CCCNC1.CN1CCC(Oc2ccc(CC(C)(C)C)cc2)CC1.Cc1cc(CC(C)(C)C)ccc1N1CCNCC1.
What is the InChIKey of 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine?
The InChIKey is RIZOHBZWHGCSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C17H27NO.2C16H26N2.C15H23ClN2.C15H23NO.C15H23N/c1-17(2,3)12-14-7-9-15(10-8-14)19(4)16-6-5-11-18-13-16;1-17(2,3)13-14-5-7-15(8-6-14)19-16-9-11-18(4)12-10-16;1-13-11-14(12-16(2,3)4)5-6-15(13)18-9-7-17-8-10-18;1-16(2,3)12-13-4-6-14(7-5-13)18-15-8-10-17-11-9-15;1-15(2,3)11-12-4-5-14(13(16)10-12)18-8-6-17-7-9-18;1-15(2,3)10-12-4-6-13(7-5-12)14-11-16-8-9-17-14;1-15(2,3)10-12-4-6-13(7-5-12)14-8-9-16-11-14/h7-10,16,18H,5-6,11-13H2,1-4H3;5-8,16H,9-13H2,1-4H3;5-6,11,17H,7-10,12H2,1-4H3;4-7,15,17-18H,8-12H2,1-3H3;4-5,10,17H,6-9,11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3;4-7,14,16H,8-11H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine?
1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine has a molecular weight of 1732.16 g/mol, XLogP of 23.27, 17 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,2-dimethylpropyl)phenyl]piperazine;1-[4-(2,2-dimethylpropyl)-2-methylphenyl]piperazine;4-[4-(2,2-dimethylpropyl)phenoxy]-1-methylpiperidine;N-[4-(2,2-dimethylpropyl)phenyl]-N-methylpiperidin-3-amine;2-[4-(2,2-dimethylpropyl)phenyl]morpholine;N-[4-(2,2-dimethylpropyl)phenyl]piperidin-4-amine;3-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine is sourced from PubChem (CID 160639585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).